SA55-4078 Screening compound: N~1~-[2-(1-propyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]-1-cyclohexanecarboxamide

SA55-4078 Screening compound: N~1~-[2-(1-propyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]-1-cyclohexanecarboxamide
SA55-4078 Screening compound: N~1~-[2-(1-propyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]-1-cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA55-4078
N~1~-[2-(1-propyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]-1-cyclohexanecarboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

SA55-4078

Molecular Formula

C18H29N3O2 (C18 H29 N3 O2)

Compound Name

N~1~-[2-(1-propyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]-1-cyclohexanecarboxamide

IUPAC name

N-(2-{1-propyl-1H4H6H7H-pyrano[43-c]pyrazol-3-yl}ethyl)cyclohexanecarboxamide

SMILES

CCCn1nc(CCNC(C2CCCCC2)=O)c2c1CCOC2

InChI

InChI=1S/C18H29N3O2/c1-2-11-21-17-9-12-23-13-15(17)16(20-21)8-10-19-18(22)14-6-4-3-5-7-14/h14H,2-13H2,1H3,(H,19,22)

InChI Key

DSIUMXNIQOKXJH-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.058

Distribution Coefficient, logD

2.058

Water Solubility, LogSw

-2.24

Polar Surface Area

48.218

Acid Dissociation Constant (pKa)

14.27

Base Dissociation Constant (pKb)

2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

77.78

SA55-4078 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA55-4078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA55-4078?
Check Price and Availability of SA55-4078, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SA55-4078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA55-4078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA55-4078
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of SA55-4078 available by request